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Target
Cytochrome P450 2C19
Ligand
BDBM50240237
Substrate
n/a
Meas. Tech.
ChEMBL_1667892 (CHEMBL4017780)
IC50
7000±n/a nM
Citation
 Wu, W; Li, Z; Yang, G; Teng, M; Qin, J; Hu, Z; Hou, L; Shen, L; Dong, H; Zhang, Y; Li, J; Chen, S; Tian, J; Zhang, J; Ye, L The discovery of tetrahydropyridine analogs as hNav1.7 selective inhibitors for analgesia. Bioorg Med Chem Lett 27:2210-2215 (2017) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C19
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50240237
Synonyms:
CHEMBL4079748
Type:
Small organic molecule
Emp. Form.:
C21H18ClF3N4O2S2
Mol. Mass.:
514.971
SMILES:
Fc1cnc(NS(=O)(=O)c2cc(Cl)c(NC[C@H]3NCCC=C3c3ccc(F)cc3)cc2F)s1 |r,c:20|
Structure:
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